1-[2,4-bis(4-methylpiperazin-1-yl)-3H-1,5-benzodiazepin-3-yl]propyl methanesulfonate

Systemtic Name: 1-[2,4-bis(4-methylpiperazin-1-yl)-3H-1,5-benzodiazepin-3-yl]propyl methanesulfonate Openeye Name: 1-[2,4-bis(4-methylpiperazin-1-yl)-3H-1,5-benzodiazepin-3-yl]propyl methanesulfonate CAS Name: methanesulfonic acid 1-[2,4-bis(4-methyl-1-piperazinyl)-3H-1,5-benzodiazepin-3-yl]propyl ester IUPAC Name: 1-[2,4-bis(4-methylpiperazin-1-yl)-3H-1,5-benzodiazepin-3-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 1-[2,4-bis(4-methylpiperazino)-3H-1,5-benzodiazepin-3-yl]propyl ester Formula: C23H36N6O3S MolecularWeight: 476.63534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(=NC2=CC=CC=C2N=C1N3CCN(CC3)C)N4CCN(CC4)C)OS(=O)(=O)C

Isomeric SMILES

CCC(C1C(=NC2=CC=CC=C2N=C1N3CCN(CC3)C)N4CCN(CC4)C)OS(=O)(=O)C

InChI

InChI=1S/C23H36N6O3S/c1-5-20(32-33(4,30)31)21-22(28-14-10-26(2)11-15-28)24-18-8-6-7-9-19(18)25-23(21)29-16-12-27(3)13-17-29/h6-9,20-21H,5,10-17H2,1-4H3